GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=17
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=18",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=16",
    "results": [
        {
            "id": "mp-1220318",
            "created_at": "2022-09-04T14:42:55.231918Z",
            "structure_string": "Nb1 H1\n1.0\n-1.606964 1.606964 -1.984301\n1.606964 -1.606964 -1.984301\n-1.606964 -1.606964 -1.984301\nNb H\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 H\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Nb",
                "H"
            ],
            "chemical_system": "H-Nb",
            "density": 7.608535617205704,
            "density_atomic": 0.09757760580094821,
            "volume": 20.496506176631,
            "volume_molar": 6.171642264194066,
            "formula_full": "Nb1 H1",
            "formula_reduced": "NbH",
            "formula_anonymous": "AB",
            "energy": -13.89652201,
            "energy_per_atom": -6.948261005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -13.71752201,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008384,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:56.719000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1177202",
            "created_at": "2022-09-04T14:42:55.234853Z",
            "structure_string": "Li8 V6 P16 O58\n1.0\n9.782188 0.000000 0.000000\n4.889961 8.477292 0.000000\n0.046518 0.039807 14.085416\nLi V P O\n8 6 16 58\ndirect\n0.910095 0.772804 0.437249 Li\n0.318999 0.909581 0.438511 Li\n0.321841 0.768768 0.942047 Li\n0.904370 0.318789 0.945680 Li\n0.772363 0.326531 0.437086 Li\n0.086967 0.682416 0.063599 Li\n0.680819 0.092445 0.557085 Li\n0.225683 0.096943 0.064327 Li\n0.431559 0.564084 0.745386 V\n0.567441 0.429041 0.246647 V\n0.997855 0.569380 0.253255 V\n0.002171 0.433669 0.745619 V\n0.569901 0.995150 0.757266 V\n0.434344 0.999864 0.247665 V\n0.770944 0.915957 0.157408 P\n0.911396 0.772834 0.658789 P\n0.319894 0.912555 0.658058 P\n0.666107 0.661701 0.870849 P\n0.663525 0.665482 0.372441 P\n0.318746 0.767337 0.157436 P\n0.231801 0.683586 0.341802 P\n0.911764 0.320902 0.158608 P\n0.088412 0.681265 0.842008 P\n0.770515 0.317423 0.658025 P\n0.683903 0.230048 0.841318 P\n0.337338 0.328636 0.629388 P\n0.330115 0.337506 0.127216 P\n0.680437 0.087817 0.341259 P\n0.086953 0.229217 0.340055 P\n0.227856 0.088851 0.840312 P\n0.758852 0.004347 0.432443 O\n0.742677 0.919595 0.664743 O\n0.010158 0.752010 0.932981 O\n0.916133 0.745020 0.164413 O\n0.618181 0.905336 0.177958 O\n0.666568 0.813406 0.826206 O\n0.478761 0.906061 0.680573 O\n0.239365 0.000697 0.929772 O\n0.334691 0.916372 0.157144 O\n0.811911 0.674242 0.334885 O\n0.901447 0.619520 0.678673 O\n0.511291 0.812161 0.333106 O\n0.663596 0.666492 0.976007 O\n0.666506 0.656281 0.478631 O\n0.514140 0.667401 0.829818 O\n0.898722 0.480809 0.175004 O\n0.817198 0.513437 0.829504 O\n0.344805 0.743148 0.669261 O\n0.206739 0.786639 0.245108 O\n0.240901 0.769121 0.425751 O\n0.245667 0.753391 0.066772 O\n0.481006 0.617670 0.176466 O\n0.669935 0.511977 0.329010 O\n0.257180 0.660074 0.835967 O\n0.618369 0.479076 0.676645 O\n0.914696 0.341720 0.666088 O\n0.999791 0.790344 0.750294 O\n0.989901 0.764379 0.567497 O\n0.993858 0.235769 0.424927 O\n0.084605 0.663446 0.342628 O\n0.383434 0.522852 0.322499 O\n0.744795 0.338938 0.166061 O\n0.335222 0.479424 0.675230 O\n0.523820 0.383062 0.822484 O\n0.769749 0.235759 0.925404 O\n0.759188 0.245067 0.567566 O\n0.788475 0.204987 0.745464 O\n0.664554 0.254890 0.338771 O\n0.185460 0.490173 0.167063 O\n0.096130 0.521086 0.819960 O\n0.480998 0.334676 0.175416 O\n0.337181 0.339135 0.021513 O\n0.336426 0.334874 0.524555 O\n0.486968 0.180977 0.670428 O\n0.097155 0.380868 0.322974 O\n0.185379 0.332961 0.674343 O\n0.655450 0.087449 0.834856 O\n0.793486 0.995193 0.253878 O\n0.766903 0.000901 0.070493 O\n0.519343 0.103176 0.324547 O\n0.325847 0.187826 0.164933 O\n0.380171 0.099093 0.823673 O\n0.081135 0.256506 0.839013 O\n0.995555 0.242130 0.067899 O\n0.008373 0.204908 0.244742 O\n0.255628 0.083056 0.337778 O\n0.248411 0.989742 0.567192 O\n0.207679 0.003154 0.748804 O\n",
            "nsites": 88,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-V",
            "density": 2.5372130952182106,
            "density_atomic": 0.07533899913361791,
            "volume": 1168.0537439039654,
            "volume_molar": 7.99339097844849,
            "formula_full": "Li8 V6 P16 O58",
            "formula_reduced": "Li4V3P8O29",
            "formula_anonymous": "A3B4C8D29",
            "energy": -669.21476062,
            "energy_per_atom": -7.604713188863636,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -619.16876062,
            "band_gap": 0.2411999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.999845,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:58.814000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-756916",
            "created_at": "2022-09-04T14:42:55.244125Z",
            "structure_string": "Mg2 Fe4 O10\n1.0\n2.581823 4.973290 0.000000\n-2.581823 4.973290 0.000000\n0.000000 2.434175 6.698942\nMg Fe O\n2 4 10\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.373560 0.368546 0.216584 Fe\n0.368546 0.373560 0.716584 Fe\n0.631454 0.626440 0.283416 Fe\n0.626440 0.631454 0.783416 Fe\n0.262714 0.564552 0.444524 O\n0.564552 0.262714 0.944524 O\n0.982062 0.630508 0.164421 O\n0.369492 0.017938 0.335579 O\n0.630508 0.982062 0.664421 O\n0.017938 0.369492 0.835579 O\n0.435448 0.737286 0.055476 O\n0.782219 0.217781 0.250000 O\n0.737286 0.435448 0.555476 O\n0.217781 0.782219 0.750000 O\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Mg",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Mg-O",
            "density": 4.169752675216137,
            "density_atomic": 0.09300654673586396,
            "volume": 172.03090063583977,
            "volume_molar": 6.474964366866254,
            "formula_full": "Mg2 Fe4 O10",
            "formula_reduced": "MgFe2O5",
            "formula_anonymous": "AB2C5",
            "energy": -113.74527467,
            "energy_per_atom": -7.109079666875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -97.85127467,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.9991172,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:01.009000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1212488",
            "created_at": "2022-09-04T14:42:54.897652Z",
            "structure_string": "Gd4 Cr4 Ge4 O20\n1.0\n5.844673 0.000000 0.000000\n0.000000 7.511344 0.000000\n0.000000 0.000000 8.540027\nGd Cr Ge O\n4 4 4 20\ndirect\n0.500000 0.357161 0.326560 Gd\n0.500000 0.642839 0.673440 Gd\n0.500000 0.142839 0.826560 Gd\n0.500000 0.857161 0.173440 Gd\n0.248311 0.000000 0.500000 Cr\n0.751689 0.000000 0.500000 Cr\n0.751689 0.500000 0.000000 Cr\n0.248311 0.500000 0.000000 Cr\n0.000000 0.116644 0.143917 Ge\n0.000000 0.883356 0.856083 Ge\n0.000000 0.383356 0.643917 Ge\n0.000000 0.616644 0.356083 Ge\n0.247005 0.109485 0.282742 O\n0.752995 0.890515 0.717258 O\n0.247005 0.890515 0.717258 O\n0.752995 0.390515 0.782742 O\n0.752995 0.109485 0.282742 O\n0.247005 0.609485 0.217258 O\n0.752995 0.609485 0.217258 O\n0.247005 0.390515 0.782742 O\n0.000000 0.341523 0.079937 O\n0.000000 0.658477 0.920063 O\n0.000000 0.158477 0.579937 O\n0.000000 0.841523 0.420063 O\n0.500000 0.333511 0.056098 O\n0.500000 0.666489 0.943902 O\n0.500000 0.166489 0.556098 O\n0.500000 0.833511 0.443902 O\n0.209419 0.000000 0.000000 O\n0.790581 0.000000 0.000000 O\n0.790581 0.500000 0.500000 O\n0.209419 0.500000 0.500000 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Gd",
                "Cr",
                "Ge",
                "O"
            ],
            "chemical_system": "Cr-Gd-Ge-O",
            "density": 6.41121405106148,
            "density_atomic": 0.08535183537739029,
            "volume": 374.91870981460823,
            "volume_molar": 7.055666387691138,
            "formula_full": "Gd4 Cr4 Ge4 O20",
            "formula_reduced": "GdCrGeO5",
            "formula_anonymous": "ABCD5",
            "energy": -302.47266991,
            "energy_per_atom": -9.4522709346875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -280.73666991,
            "band_gap": 2.4125,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 15.9977005,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:53.405000Z",
            "spacegroup": 55
        },
        {
            "id": "mp-1184962",
            "created_at": "2022-09-04T14:42:55.264184Z",
            "structure_string": "K1 Cd3\n1.0\n0.000000 3.910743 3.910743\n3.910743 0.000000 3.910743\n3.910743 3.910743 0.000000\nK Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "K",
                "Cd"
            ],
            "chemical_system": "Cd-K",
            "density": 5.2241015760713765,
            "density_atomic": 0.0334389141126573,
            "volume": 119.6211093016899,
            "volume_molar": 18.009378952053048,
            "formula_full": "K1 Cd3",
            "formula_reduced": "KCd3",
            "formula_anonymous": "AB3",
            "energy": -3.77415374,
            "energy_per_atom": -0.943538435,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -3.77415374,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0151649,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:56.877000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1245966",
            "created_at": "2022-09-04T14:42:55.283048Z",
            "structure_string": "Sr4 Rh4 N8\n1.0\n6.084811 0.000000 0.197698\n0.000000 8.357070 0.000000\n-2.041619 0.000000 4.922898\nSr Rh N\n4 4 8\ndirect\n0.334021 0.896858 0.654499 Sr\n0.665979 0.396858 0.845501 Sr\n0.665979 0.103142 0.345501 Sr\n0.334021 0.603142 0.154499 Sr\n0.106506 0.358226 0.570212 Rh\n0.893494 0.858226 0.929788 Rh\n0.893494 0.641774 0.429788 Rh\n0.106506 0.141774 0.070212 Rh\n0.241960 0.915369 0.091743 N\n0.758040 0.415369 0.408257 N\n0.758040 0.084631 0.908257 N\n0.241960 0.584631 0.591743 N\n0.232896 0.322317 0.959137 N\n0.767104 0.822317 0.540863 N\n0.767104 0.677683 0.040863 N\n0.232896 0.177683 0.459137 N\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Sr",
                "Rh",
                "N"
            ],
            "chemical_system": "N-Rh-Sr",
            "density": 5.721410295517292,
            "density_atomic": 0.06306454028500241,
            "volume": 253.70834271830904,
            "volume_molar": 9.549170948974863,
            "formula_full": "Sr4 Rh4 N8",
            "formula_reduced": "SrRhN2",
            "formula_anonymous": "ABC2",
            "energy": -106.64580146,
            "energy_per_atom": -6.66536259125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -103.75780146,
            "band_gap": 0.0351999999999996,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004569,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:06.534000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1207277",
            "created_at": "2022-09-04T14:42:55.285586Z",
            "structure_string": "Y1 Cu2 Se1 O2\n1.0\n3.585859 0.000000 0.000000\n0.000000 3.585859 0.000000\n0.000000 0.000000 11.942138\nY Cu Se O\n1 2 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.500000 0.500000 0.182114 Cu\n0.500000 0.500000 0.817886 Cu\n0.500000 0.500000 0.000000 Se\n0.500000 0.500000 0.671101 O\n0.500000 0.500000 0.328899 O\n",
            "nsites": 6,
            "nelements": 4,
            "elements": [
                "Y",
                "Cu",
                "Se",
                "O"
            ],
            "chemical_system": "Cu-O-Se-Y",
            "density": 3.535662234483713,
            "density_atomic": 0.03907353894756726,
            "volume": 153.5566053551329,
            "volume_molar": 15.412324867939668,
            "formula_full": "Y1 Cu2 Se1 O2",
            "formula_reduced": "YCu2SeO2",
            "formula_anonymous": "ABC2D2",
            "energy": -32.49858286,
            "energy_per_atom": -5.416430476666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -30.652582860000003,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0995769,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:55.674000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1236921",
            "created_at": "2022-09-04T14:42:55.314806Z",
            "structure_string": "Ca2 Zn4 Br12 O12\n1.0\n4.634448 5.713757 0.000000\n-4.634448 5.713757 0.000000\n0.000000 3.624841 15.383826\nCa Zn Br O\n2 4 12 12\ndirect\n0.465523 0.465523 0.226131 Ca\n0.534477 0.534477 0.773869 Ca\n0.804125 0.804125 0.283621 Zn\n0.195875 0.195875 0.716379 Zn\n0.869100 0.869100 0.783322 Zn\n0.130900 0.130900 0.216678 Zn\n0.816793 0.816793 0.135765 Br\n0.183207 0.183207 0.864235 Br\n0.308425 0.893195 0.129737 Br\n0.691575 0.106805 0.870263 Br\n0.106805 0.691575 0.870263 Br\n0.893195 0.308425 0.129737 Br\n0.953935 0.953935 0.362846 Br\n0.046065 0.046065 0.637154 Br\n0.454124 0.853661 0.358417 Br\n0.545876 0.146339 0.641583 Br\n0.146339 0.545876 0.641583 Br\n0.853661 0.454124 0.358417 Br\n0.736010 0.736010 0.732034 O\n0.263990 0.263990 0.267966 O\n0.517281 0.278352 0.097397 O\n0.482719 0.721648 0.902603 O\n0.721648 0.482719 0.902603 O\n0.278352 0.517281 0.097397 O\n0.670961 0.370203 0.328568 O\n0.329039 0.629797 0.671432 O\n0.629797 0.329039 0.671432 O\n0.370203 0.670961 0.328568 O\n0.614835 0.614835 0.944450 O\n0.385165 0.385165 0.055550 O\n",
            "nsites": 30,
            "nelements": 4,
            "elements": [
                "Ca",
                "Zn",
                "Br",
                "O"
            ],
            "chemical_system": "Br-Ca-O-Zn",
            "density": 3.042201271709263,
            "density_atomic": 0.036821978489583074,
            "volume": 814.7308002063764,
            "volume_molar": 16.354745201167454,
            "formula_full": "Ca2 Zn4 Br12 O12",
            "formula_reduced": "CaZn2(BrO)6",
            "formula_anonymous": "AB2C6D6",
            "energy": -101.57853021,
            "energy_per_atom": -3.385951007,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -101.57853021,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9989064,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.715000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-801915",
            "created_at": "2022-09-04T14:42:54.652517Z",
            "structure_string": "Al15 Fe9 O32\n1.0\n5.813369 0.000000 0.000000\n-2.903348 5.079527 0.000000\n-0.017804 -3.236272 19.035695\nAl Fe O\n15 9 32\ndirect\n0.500000 0.500000 0.000000 Al\n0.252722 0.002564 0.749205 Al\n0.122187 0.494740 0.125698 Al\n0.877813 0.505260 0.874302 Al\n0.000000 0.500000 0.000000 Al\n0.751457 0.501393 0.749552 Al\n0.251643 0.501576 0.749646 Al\n0.625448 0.500609 0.624727 Al\n0.248543 0.498607 0.250448 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.747278 0.997436 0.250795 Al\n0.000000 0.000000 0.500000 Al\n0.374552 0.499391 0.375273 Al\n0.748357 0.498424 0.250354 Al\n0.843850 0.874879 0.093301 Fe\n0.500000 0.000000 0.000000 Fe\n0.156150 0.125121 0.906699 Fe\n0.345631 0.877456 0.593046 Fe\n0.596150 0.878392 0.842926 Fe\n0.654369 0.122544 0.406954 Fe\n0.904523 0.122633 0.656647 Fe\n0.095477 0.877367 0.343353 Fe\n0.403850 0.121608 0.157074 Fe\n0.522852 0.722630 0.059951 O\n0.086375 0.291898 0.059399 O\n0.584970 0.270515 0.050818 O\n0.913625 0.708102 0.940601 O\n0.477148 0.277370 0.940049 O\n0.919491 0.276792 0.940043 O\n0.080509 0.723208 0.059957 O\n0.842550 0.738402 0.807478 O\n0.589665 0.297908 0.559043 O\n0.842333 0.299856 0.808186 O\n0.415030 0.729485 0.949182 O\n0.171384 0.738384 0.698597 O\n0.332423 0.265197 0.800499 O\n0.663262 0.268259 0.691100 O\n0.222307 0.267314 0.691414 O\n0.971302 0.266188 0.441840 O\n0.028698 0.733812 0.558160 O\n0.280329 0.737313 0.807874 O\n0.588548 0.733452 0.558188 O\n0.919873 0.736676 0.449012 O\n0.080127 0.263324 0.550988 O\n0.661440 0.702893 0.690585 O\n0.828616 0.261616 0.301403 O\n0.410335 0.702092 0.440957 O\n0.411452 0.266548 0.441812 O\n0.157450 0.261598 0.192522 O\n0.777693 0.732686 0.308586 O\n0.336738 0.731741 0.308900 O\n0.338560 0.297107 0.309415 O\n0.667577 0.734803 0.199501 O\n0.157667 0.700144 0.191814 O\n0.719671 0.262687 0.192126 O\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Al",
                "Fe",
                "O"
            ],
            "chemical_system": "Al-Fe-O",
            "density": 4.192819011277528,
            "density_atomic": 0.09962495214173969,
            "volume": 562.1081746702067,
            "volume_molar": 6.044811696804734,
            "formula_full": "Al15 Fe9 O32",
            "formula_reduced": "Al15Fe9O32",
            "formula_anonymous": "A9B15C32",
            "energy": -380.6081702,
            "energy_per_atom": -6.796574467857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -338.3201702,
            "band_gap": 1.3242000000000005,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 37.0001274,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:00.921000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-753262",
            "created_at": "2022-09-04T14:42:55.370737Z",
            "structure_string": "Li8 Co4 Si12 O32\n1.0\n-1.659393 6.285022 -0.000046\n-0.000001 -0.000054 8.590311\n11.687500 5.998416 -0.000058\nLi Co Si O\n8 4 12 32\ndirect\n0.742453 0.304708 0.126465 Li\n0.242298 0.304810 0.626414 Li\n0.757699 0.804801 0.373582 Li\n0.257522 0.804686 0.873522 Li\n0.274143 0.775112 0.250509 Li\n0.774032 0.774975 0.750549 Li\n0.225924 0.274962 0.249484 Li\n0.725853 0.275023 0.749517 Li\n0.342434 0.999520 0.694712 Co\n0.657548 0.499529 0.305282 Co\n0.842438 0.999440 0.194715 Co\n0.157569 0.499432 0.805286 Co\n0.388540 0.525076 0.015912 Si\n0.888494 0.525179 0.515919 Si\n0.111487 0.025177 0.484074 Si\n0.611487 0.025078 0.984087 Si\n0.202467 0.194016 0.046675 Si\n0.702468 0.194126 0.546685 Si\n0.297520 0.694133 0.453312 Si\n0.797554 0.694016 0.953331 Si\n0.000759 0.662822 0.141923 Si\n0.500662 0.662883 0.641909 Si\n0.499320 0.162881 0.358087 Si\n0.999263 0.162821 0.858083 Si\n0.948489 0.739832 0.034002 O\n0.448414 0.739959 0.533998 O\n0.551556 0.239948 0.466012 O\n0.051533 0.239828 0.966005 O\n0.356699 0.049873 0.995465 O\n0.856706 0.050009 0.495448 O\n0.143283 0.550013 0.504537 O\n0.643325 0.549882 0.004538 O\n0.356179 0.343271 0.056985 O\n0.856199 0.343373 0.556997 O\n0.143801 0.843373 0.442989 O\n0.643852 0.843275 0.943005 O\n0.688656 0.065567 0.088575 O\n0.188645 0.065664 0.588576 O\n0.811313 0.565674 0.411426 O\n0.311379 0.565558 0.911420 O\n0.263236 0.634305 0.115414 O\n0.763145 0.634387 0.615415 O\n0.236840 0.134395 0.384579 O\n0.736786 0.134310 0.884585 O\n0.069072 0.159344 0.162977 O\n0.569087 0.159423 0.662974 O\n0.430915 0.659444 0.337024 O\n0.930960 0.659357 0.837026 O\n0.874119 0.502610 0.174188 O\n0.374035 0.502676 0.674150 O\n0.625937 0.002674 0.325840 O\n0.125894 0.002608 0.825816 O\n0.969874 0.798675 0.230915 O\n0.469770 0.798710 0.730933 O\n0.530218 0.298715 0.269069 O\n0.030150 0.298665 0.769083 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Li",
                "Co",
                "Si",
                "O"
            ],
            "chemical_system": "Co-Li-O-Si",
            "density": 2.6425867967695846,
            "density_atomic": 0.07815583613323077,
            "volume": 716.5171888704238,
            "volume_molar": 7.70529887203071,
            "formula_full": "Li8 Co4 Si12 O32",
            "formula_reduced": "Li2CoSi3O8",
            "formula_anonymous": "AB2C3D8",
            "energy": -422.09554072,
            "energy_per_atom": -7.5374203699999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -393.55954072,
            "band_gap": 3.1591,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.6e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:58.142000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-1236025",
            "created_at": "2022-09-04T14:42:55.243131Z",
            "structure_string": "Li1 Fe8 O16\n1.0\n0.000000 2.969187 0.000000\n0.301074 0.000000 10.224069\n10.138371 0.000000 -0.285691\nLi Fe O\n1 8 16\ndirect\n0.500000 0.601008 0.547223 Li\n0.000000 0.119763 0.334053 Fe\n0.000000 0.633869 0.152824 Fe\n0.500000 0.617830 0.834778 Fe\n0.500000 0.137016 0.651037 Fe\n0.000000 0.822802 0.672698 Fe\n0.000000 0.302328 0.851227 Fe\n0.500000 0.320053 0.168242 Fe\n0.500000 0.805536 0.350939 Fe\n0.000000 0.315449 0.293273 O\n0.000000 0.307579 0.044594 O\n0.000000 0.675288 0.361210 O\n0.000000 0.928172 0.338753 O\n0.500000 0.812967 0.794784 O\n0.500000 0.802574 0.545799 O\n0.500000 0.179542 0.847804 O\n0.500000 0.425095 0.836726 O\n0.000000 0.621446 0.691331 O\n0.000000 0.630892 0.957345 O\n0.000000 0.261693 0.654598 O\n0.000000 0.013156 0.663702 O\n0.500000 0.124866 0.210620 O\n0.500000 0.133571 0.457681 O\n0.500000 0.757752 0.161365 O\n0.500000 0.511253 0.168646 O\n",
            "nsites": 25,
            "nelements": 3,
            "elements": [
                "Li",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Li-O",
            "density": 3.8258585250602404,
            "density_atomic": 0.08116153927510196,
            "volume": 308.0276720142158,
            "volume_molar": 7.419943995378881,
            "formula_full": "Li1 Fe8 O16",
            "formula_reduced": "Li(FeO2)8",
            "formula_anonymous": "AB8C16",
            "energy": -182.47926837,
            "energy_per_atom": -7.2991707348,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -153.43926837,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 33.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:54.765000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1215975",
            "created_at": "2022-09-04T14:42:56.489940Z",
            "structure_string": "Y2 Sn4 Bi2 O14\n1.0\n-3.741497 3.767107 5.319829\n3.741497 -3.767107 5.319829\n3.741497 3.767107 -5.319829\nY Sn Bi O\n2 4 2 14\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.866167 0.616167 0.250000 O\n0.133833 0.383833 0.750000 O\n0.833865 0.083865 0.750000 O\n0.413304 0.663304 0.750000 O\n0.835644 0.663907 0.745052 O\n0.418855 0.090593 0.754948 O\n0.835644 0.090593 0.171738 O\n0.418855 0.663907 0.328262 O\n0.166135 0.916135 0.250000 O\n0.586696 0.336696 0.250000 O\n0.164356 0.336093 0.254948 O\n0.581145 0.909407 0.245052 O\n0.164356 0.909407 0.828262 O\n0.581145 0.336093 0.671738 O\n",
            "nsites": 22,
            "nelements": 4,
            "elements": [
                "Y",
                "Sn",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-O-Sn-Y",
            "density": 7.16762134828993,
            "density_atomic": 0.07335194930646305,
            "volume": 299.92386307396436,
            "volume_molar": 8.20992600324718,
            "formula_full": "Y2 Sn4 Bi2 O14",
            "formula_reduced": "YSn2BiO7",
            "formula_anonymous": "ABC2D7",
            "energy": -160.39215248,
            "energy_per_atom": -7.2905523854545455,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -150.77415248,
            "band_gap": 3.0192000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008442,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:56.320000Z",
            "spacegroup": 74
        }
    ]
}